2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide

C21H21Cl2FN2O3S — CID 146668842

IUPAC2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cc(Cl)cc(C2CCOCC2)c1)c1cc(N2CCCS2=O)cc(F)c1Cl
InChIInChI=1S/C21H21Cl2FN2O3S/c22-15-8-14(13-2-5-29-6-3-13)9-16(10-15)25-21(27)18-11-17(12-19(24)20(18)23)26-4-1-7-30(26)28/h8-13H,1-7H2,(H,25,27)
InChIKeyLJTUXLBUHYHRGL-UHFFFAOYSA-N
MW471.38 g/mol
LogP5.15
Rot. Bonds4

About 2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146668842) has the molecular formula C21H21Cl2FN2O3S and a molecular weight of 471.38 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID146668842
Molecular FormulaC21H21Cl2FN2O3S
Molecular Weight471.38 g/mol
Exact Mass470.06
IUPAC Name2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cc(Cl)cc(C2CCOCC2)c1)c1cc(N2CCCS2=O)cc(F)c1Cl
InChIInChI=1S/C21H21Cl2FN2O3S/c22-15-8-14(13-2-5-29-6-3-13)9-16(10-15)25-21(27)18-11-17(12-19(24)20(18)23)26-4-1-7-30(26)28/h8-13H,1-7H2,(H,25,27)
InChIKeyLJTUXLBUHYHRGL-UHFFFAOYSA-N
XLogP5.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.38
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-[3-chloro-5-[(3S)-oxolan-3-yl]phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668423
2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667513
2-chloro-N-[3-cyano-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide
CID 146668405
2-chloro-N-(3,5-dimethoxyphenyl)-3-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 146667565
2-chloro-N-[3-chloro-5-(3,4-dihydro-2H-pyran-6-yl)phenyl]-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 146668465
tert-butyl N-[3-chloro-5-(oxan-4-yl)phenyl]carbamate
CID 146627934
N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621473
2-chloro-N-[3-chloro-5-(2,2-dimethyloxan-4-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667596
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644
5-morpholin-4-yl-2-nitro-N-(3,4,5-trichlorophenyl)benzamide
CID 118893174
5-(cyclopentylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190475
2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide
CID 146668522

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide (CID 146668842) is 2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1cc(Cl)cc(C2CCOCC2)c1)c1cc(N2CCCS2=O)cc(F)c1Cl.
What is the InChIKey of 2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is LJTUXLBUHYHRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2FN2O3S/c22-15-8-14(13-2-5-29-6-3-13)9-16(10-15)25-21(27)18-11-17(12-19(24)20(18)23)26-4-1-7-30(26)28/h8-13H,1-7H2,(H,25,27).
What are the key properties of 2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 471.38 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-5-(oxan-4-yl)phenyl]-3-fluoro-5-(1-oxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146668842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).